[2-[(3-chloranyl-4-fluoranyl-phenyl)amino]-2-oxidanylidene-ethyl] 3-(phenylsulfonylamino)benzoate

Systemtic Name: [2-[(3-chloranyl-4-fluoranyl-phenyl)amino]-2-oxidanylidene-ethyl] 3-(phenylsulfonylamino)benzoate Openeye Name: [2-(3-chloro-4-fluoro-anilino)-2-oxo-ethyl] 3-(benzenesulfonamido)benzoate CAS Name: 3-(benzenesulfonamido)benzoic acid [2-(3-chloro-4-fluoroanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-chloro-4-fluoroanilino)-2-oxoethyl] 3-(benzenesulfonamido)benzoate Traditional Name: 3-(benzenesulfonamido)benzoic acid [2-(3-chloro-4-fluoro-anilino)-2-keto-ethyl] ester Formula: C21H16ClFN2O5S MolecularWeight: 462.878543

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC(=C2)C(=O)OCC(=O)NC3=CC(=C(C=C3)F)Cl

Isomeric SMILES

C1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC(=C2)C(=O)OCC(=O)NC3=CC(=C(C=C3)F)Cl

InChI

InChI=1S/C21H16ClFN2O5S/c22-18-12-15(9-10-19(18)23)24-20(26)13-30-21(27)14-5-4-6-16(11-14)25-31(28,29)17-7-2-1-3-8-17/h1-12,25H,13H2,(H,24,26)